{"action":"created","comment":{"url":"https://api.github.com/repos/Homebrew/homebrew-science/pulls/comments/23596006","id":23596006,"diff_hunk":"@@ -0,0 +1,85 @@\n+class Abinit < Formula\n+  homepage \"http://www.abinit.org\"\n+  url \"http://ftp.abinit.org/abinit-7.10.2.tar.gz\"\n+  sha1 \"04c4d991bf48de917e9707611a553c6f7c44a961\"\n+\n+  option \"without-check\", \"Skip build-time tests (not recommended)\"\n+  option \"with-testsuite\", \"Run full test suite (time consuming)\"\n+\n+  depends_on \"cmake\" => :build\n+  depends_on :python => :build\n+\n+  depends_on :mpi => [:cc, :cxx, :f77, :f90]\n+  depends_on :fortran\n+  depends_on \"fftw\" => [\"with-mpi\", \"with-fortran\", :recommended]\n+  #-depends_on \"libxc\" => :recommended   # 2.2.0 will be supported in Abinit 8.0\n+  #-depends_on \"netcdf\" => [\"with-fortran\", :recommended] # Netcdf 4.3.2 Error while closing the OUT.nc file: NetCDF: Not a valid ID\n+  depends_on \"gsl\" => :recommended\n+\n+  def install\n+    # Environment variables CC, CXX, etc. will be ignored.\n+    ENV.delete \"CC\"\n+    ENV.delete \"CXX\"\n+    ENV.delete \"F77\"\n+    ENV.delete \"FC\"\n+    args = %W[CC=#{ENV[\"MPICC\"]}\n+              CXX=#{ENV[\"MPICXX\"]}\n+              F77=#{ENV[\"MPIF77\"]}\n+              FC=#{ENV[\"MPIFC\"]}\n+              --prefix=#{prefix}\n+              --enable-mpi=yes\n+              --with-mpi-prefix=#{Formula[\"openmpi\"].opt_prefix}\n+              --enable-optim=safe\n+              --enable-openmp=no\n+              --enable-gw-dpc\n+              ]\n+\n+    args << \"--with-linalg-flavor=custom\"\n+    args << \"--with-linalg-libs=-L#{Formula[\"veclibfort\"].opt_lib} -lveclibfort\"\n+\n+    if build.with? \"netcdf\"\n+      args << \"--with-trio-flavor=netcdf\"\n+      args << \"--with-netcdf-incs=-I#{Formula[\"netcdf\"].opt_include}\"\n+      args << \"--with-netcdf-libs=-L#{Formula[\"netcdf\"].opt_lib} -lnetcdff -lnetcdf\"\n+    end\n+\n+    if build.with? \"gsl\"\n+      args << \"--with-math-flavor=gsl\"\n+      args << \"--with-math-incs=-I#{Formula[\"gsl\"].opt_include}\"\n+      args << \"--with-math-libs=-L#{Formula[\"gsl\"].opt_lib} -lgsl\"\n+    end\n+\n+    if build.with? \"libxc\"\n+      args << \"--with-dft-flavor=libxc\"\n+      args << \"--with-libxc-incs=-I#{Formula[\"libxc\"].opt_include}\"\n+      args << \"--with-libxc-libs=-L#{Formula[\"libxc\"].opt_lib} -lxc -lxcf90\"\n+    end\n+\n+    # need to link against single precision as well, see https://trac.macports.org/ticket/45617 and http://forum.abinit.org/viewtopic.php?f=3&t=2631\n+    if build.with? \"fftw\"\n+      args << \"--with-fft-flavor=fftw3\"\n+      args << \"--with-fft-incs=-I#{Formula[\"fftw\"].opt_include}\"\n+      args << \"--with-fft-libs=-L#{Formula[\"fftw\"].opt_lib} -lfftw3 -lfftw3f -lfftw3_mpi -lfftw3f_mpi\"\n+    end\n+\n+    system \"./configure\", *args\n+    system \"make\"\n+\n+    if build.with? \"check\"\n+      log_name = \"make-check.log\"\n+      cd \"tests\"\n+      if build.with? \"testsuite\"\n+        system \"./runtests.py -n 3 2>&1 | tee #{log_name}\"\n+      else\n+        system \"./runtests.py fast 2>&1 | tee #{log_name}\"\n+      end\n+      ohai `grep \", succeeded:\" \"#{log_name}\"`.chomp\n+      prefix.install \"#{log_name}\"\n+      cd \"..\"\n+    end","path":"abinit.rb","position":79,"original_position":79,"commit_id":"ba4dc97b0d6b5c21b1544d4172712754042e154e","original_commit_id":"5c031622a02a210ee3a90acc75d0771568b55c3b","user":{"login":"davydden","id":8023934,"avatar_url":"https://avatars.githubusercontent.com/u/8023934?v=3","gravatar_id":"","url":"https://api.github.com/users/davydden","html_url":"https://github.com/davydden","followers_url":"https://api.github.com/users/davydden/followers","following_url":"https://api.github.com/users/davydden/following{/other_user}","gists_url":"https://api.github.com/users/davydden/gists{/gist_id}","starred_url":"https://api.github.com/users/davydden/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/davydden/subscriptions","organizations_url":"https://api.github.com/users/davydden/orgs","repos_url":"https://api.github.com/users/davydden/repos","events_url":"https://api.github.com/users/davydden/events{/privacy}","received_events_url":"https://api.github.com/users/davydden/received_events","type":"User","site_admin":false},"body":"I asked developers on forum if there is a way to run them after installation...","created_at":"2015-01-27T09:36:12Z","updated_at":"2015-01-27T09:36:12Z","html_url":"https://github.com/Homebrew/homebrew-science/pull/1757#discussion_r23596006","pull_request_url":"https://api.github.com/repos/Homebrew/homebrew-science/pulls/1757","_links":{"self":{"href":"https://api.github.com/repos/Homebrew/homebrew-science/pulls/comments/23596006"},"html":{"href":"https://github.com/Homebrew/homebrew-science/pull/1757#discussion_r23596006"},"pull_request":{"href":"https://api.github.com/repos/Homebrew/homebrew-science/pulls/1757"}}},"pull_request":{"url":"https://api.github.com/repos/Homebrew/homebrew-science/pulls/1757","id":27975610,"html_url":"https://github.com/Homebrew/homebrew-science/pull/1757","diff_url":"https://github.com/Homebrew/homebrew-science/pull/1757.diff","patch_url":"https://github.com/Homebrew/homebrew-science/pull/1757.patch","issue_url":"https://api.github.com/repos/Homebrew/homebrew-science/issues/1757","number":1757,"state":"open","locked":false,"title":"Abinit 7.10.2 [new formula]","user":{"login":"davydden","id":8023934,"avatar_url":"https://avatars.githubusercontent.com/u/8023934?v=3","gravatar_id":"","url":"https://api.github.com/users/davydden","html_url":"https://github.com/davydden","followers_url":"https://api.github.com/users/davydden/followers","following_url":"https://api.github.com/users/davydden/following{/other_user}","gists_url":"https://api.github.com/users/davydden/gists{/gist_id}","starred_url":"https://api.github.com/users/davydden/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/davydden/subscriptions","organizations_url":"https://api.github.com/users/davydden/orgs","repos_url":"https://api.github.com/users/davydden/repos","events_url":"https://api.github.com/users/davydden/events{/privacy}","received_events_url":"https://api.github.com/users/davydden/received_events","type":"User","site_admin":false},"body":"added a formula for Abinit 7.10.2 - a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave or wavelet basis.\r\n\r\nThe two possible dependencies are not yet working, i see if this can be fixed with the help of developers.","created_at":"2015-01-24T11:55:06Z","updated_at":"2015-01-27T09:36:12Z","closed_at":null,"merged_at":null,"merge_commit_sha":"2b379917bef29ef2da2da12aef0c180167a7051a","assignee":null,"milestone":null,"commits_url":"https://api.github.com/repos/Homebrew/homebrew-science/pulls/1757/commits","review_comments_url":"https://api.github.com/repos/Homebrew/homebrew-science/pulls/1757/comments","review_comment_url":"https://api.github.com/repos/Homebrew/homebrew-science/pulls/comments/{number}","comments_url":"https://api.github.com/repos/Homebrew/homebrew-science/issues/1757/comments","statuses_url":"https://api.github.com/repos/Homebrew/homebrew-science/statuses/ba4dc97b0d6b5c21b1544d4172712754042e154e","head":{"label":"davydden:abinit","ref":"abinit","sha":"ba4dc97b0d6b5c21b1544d4172712754042e154e","user":{"login":"davydden","id":8023934,"avatar_url":"https://avatars.githubusercontent.com/u/8023934?v=3","gravatar_id":"","url":"https://api.github.com/users/davydden","html_url":"https://github.com/davydden","followers_url":"https://api.github.com/users/davydden/followers","following_url":"https://api.github.com/users/davydden/following{/other_user}","gists_url":"https://api.github.com/users/davydden/gists{/gist_id}","starred_url":"https://api.github.com/users/davydden/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/davydden/subscriptions","organizations_url":"https://api.github.com/users/davydden/orgs","repos_url":"https://api.github.com/users/davydden/repos","events_url":"https://api.github.com/users/davydden/events{/privacy}","received_events_url":"https://api.github.com/users/davydden/received_events","type":"User","site_admin":false},"repo":{"id":25812129,"name":"homebrew-science","full_name":"davydden/homebrew-science","owner":{"login":"davydden","id":8023934,"avatar_url":"https://avatars.githubusercontent.com/u/8023934?v=3","gravatar_id":"","url":"https://api.github.com/users/davydden","html_url":"https://github.com/davydden","followers_url":"https://api.github.com/users/davydden/followers","following_url":"https://api.github.com/users/davydden/following{/other_user}","gists_url":"https://api.github.com/users/davydden/gists{/gist_id}","starred_url":"https://api.github.com/users/davydden/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/davydden/subscriptions","organizations_url":"https://api.github.com/users/davydden/orgs","repos_url":"https://api.github.com/users/davydden/repos","events_url":"https://api.github.com/users/davydden/events{/privacy}","received_events_url":"https://api.github.com/users/davydden/received_events","type":"User","site_admin":false},"private":false,"html_url":"https://github.com/davydden/homebrew-science","description":"Scientific 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