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authorasmaahassan90 <31959389+asmaahassan90@users.noreply.github.com>2020-01-09 18:28:20 +0300
committerAdam J. Stewart <ajstewart426@gmail.com>2020-01-09 09:28:20 -0600
commit75760e44f356b13c8d614518c0fe50c61ef6fb56 (patch)
tree3c2f1f596898f084722807a0851bdb817ccac3cf /var
parentffb6102a42272259696e59abe1bbfd2a07512c55 (diff)
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Add ADF (#14423)
* Add ADF * Fix typo and lint * fix lint again * one more lint fix * fix identation * still stying to fix identation * one final fix * import needed libraries * changes as per reviewer's request fix setup environment function, enhance recipe * add import os once again * chnages as per reviewer's request
Diffstat (limited to 'var')
-rw-r--r--var/spack/repos/builtin/packages/adf/package.py35
1 files changed, 35 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/adf/package.py b/var/spack/repos/builtin/packages/adf/package.py
new file mode 100644
index 0000000000..ca08794d10
--- /dev/null
+++ b/var/spack/repos/builtin/packages/adf/package.py
@@ -0,0 +1,35 @@
+# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack import *
+import os
+
+
+class Adf(Package):
+ """Amsterdam Density Functional (ADF) is a program for first-principles
+ electronic structure calculations that makes use of density functional
+ theory."""
+
+ homepage = "https://www.scm.com/product/adf/"
+ version('2017.113', '666ef15d253b74c707dd14da35e7cf283ca20e21e24ed43cb953fb9d1f2f1e15')
+
+ def url_for_version(self, version):
+ return "file://{0}/adf/adf{1}.pc64_linux.openmpi.bin.tgz".format(
+ os.getcwd(), version)
+
+ # Licensing
+ license_required = True
+ license_files = ['license.txt']
+ license_vars = ['SCMLICENSE']
+
+ def setup_run_environment(self, env):
+ env.set('ADFHOME', self.prefix)
+ env.set('ADFBIN', self.prefix.bin)
+ env.set('ADFRESOURCES', self.prefix.atomicdata)
+ env.set('SCMLICENSE', join_path(self.prefix, 'license.txt'))
+ env.set('SCM_TMPDIR', '/tmp')
+
+ def install(self, spec, prefix):
+ install_tree('.', prefix)